2025-10-04_00000245
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ligand
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9PGV
HIV Capsid Hexamer bound to Compound 24;
X-ray diffraction 2.30Å
Protein #1
232 residues (94% resolved)
Raw Sequence ...
MPIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Canonical Sequence ...
MPIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Non polymer #2
A1CH7
InChI=1S/C25H26F3N5O2/c1-32(18-9-3-2-4-10-18)24(35)20(14-17-8-7-13-29-15-17)30-22(34)16-33-21-12-6-5-11-19(21)23(31-33)25(26,27)28/h2-4,7-10,13,15,20H,5-6,11-12,14,16H2,1H3,(H,30,34)/t20-/m0/s1
InChI=1S/C25H26F3N5O2/c1-32(18-9-3-2-4-10-18)24(35)20(14-17-8-7-13-29-15-17)30-22(34)16-33-21-12-6-5-11-19(21)23(31-33)25(26,27)28/h2-4,7-10,13,15,20H,5-6,11-12,14,16H2,1H3,(H,30,34)/t20-/m0/s1
SMILES: CN(c1ccccc1)C(=O)[C@H](Cc2cccnc2)NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4
CN(c1ccccc1)C(=O)[C@H](Cc2cccnc2)NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4
Biounit #1
homo-hexamer
Download coordinates
Biounit #2
homo-hexamer
Download coordinates
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Model
Reference
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